smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=[NH2+])Nc1cccc2cc[nH+]cc12	87521351	573936707	/nfs/dbraw/zinc/93/67/07/573936707.db2.gz	UXBZRCZPDOLJBM-UHFFFAOYSA-N	2	2	185.230	2.644	10	0		AFAELP
Cc1[nH+]ccc2cc(/C=C\C[NH3+])ccc12	687682306	571933265	/nfs/dbraw/zinc/93/32/65/571933265.db2.gz	AJGZEHBBOZBZTI-IHWYPQMZSA-N	2	2	198.269	2.515	10	0		AFAELP
Cc1cc2ccc(/C=C\C[NH3+])cc2c[nH+]1	687682308	571934007	/nfs/dbraw/zinc/93/40/07/571934007.db2.gz	UQVUKCZJYZZNEF-IHWYPQMZSA-N	2	2	198.269	2.515	10	0		AFAELP
Cc1[nH+]ccc2ccc(/C=C\C[NH3+])cc12	687682309	571935524	/nfs/dbraw/zinc/93/55/24/571935524.db2.gz	YCAIKMTVVCSITQ-IHWYPQMZSA-N	2	2	198.269	2.515	10	0		AFAELP
CCCCC[NH2+]C[NH2+]CCCCC	238248230	572452554	/nfs/dbraw/zinc/45/25/54/572452554.db2.gz	LDJBJTILBRWPKN-UHFFFAOYSA-N	2	2	186.343	2.504	10	0		AFAELP
Cc1[nH+]c[nH]c1[C@H]([NH3+])CCC(C)(C)C	74243030	572459309	/nfs/dbraw/zinc/45/93/09/572459309.db2.gz	GUDBDTHFQLMAIJ-SECBINFHSA-N	2	2	195.310	2.544	10	0		AFAELP
Cc1[nH+]c[nH]c1[C@@H]([NH3+])CCC(C)(C)C	74243031	572461469	/nfs/dbraw/zinc/46/14/69/572461469.db2.gz	GUDBDTHFQLMAIJ-VIFPVBQESA-N	2	2	195.310	2.544	10	0		AFAELP
Cc1cc2ccc(/C=C/C[NH3+])cc2c[nH+]1	258217679	573011212	/nfs/dbraw/zinc/01/12/12/573011212.db2.gz	UQVUKCZJYZZNEF-NSCUHMNNSA-N	2	2	198.269	2.515	10	0		AFAELP
Cc1[nH+]ccc2cc(/C=C/C[NH3+])ccc12	257979989	573258634	/nfs/dbraw/zinc/25/86/34/573258634.db2.gz	AJGZEHBBOZBZTI-NSCUHMNNSA-N	2	2	198.269	2.515	10	0		AFAELP
Cc1[nH+]ccc2ccc(/C=C/C[NH3+])cc12	258255276	573311178	/nfs/dbraw/zinc/31/11/78/573311178.db2.gz	YCAIKMTVVCSITQ-NSCUHMNNSA-N	2	2	198.269	2.515	10	0		AFAELP
CCC(CC)c1[nH]c([C@H](C)[NH2+]C)c[nH+]1	308564272	573366912	/nfs/dbraw/zinc/36/69/12/573366912.db2.gz	XRKMUGCLABHWII-QMMMGPOBSA-N	2	2	195.310	2.594	10	0		AFAELP
CCC(CC)c1[nH]c([C@@H](C)[NH2+]C)c[nH+]1	308564270	573367074	/nfs/dbraw/zinc/36/70/74/573367074.db2.gz	XRKMUGCLABHWII-MRVPVSSYSA-N	2	2	195.310	2.594	10	0		AFAELP
Cc1[nH+]ccc2cc([C@@H](C)[NH3+])ccc12	258047727	573497765	/nfs/dbraw/zinc/49/77/65/573497765.db2.gz	KIUWNAPWZXKDRJ-MRVPVSSYSA-N	2	2	186.258	2.563	10	0		AFAELP
Cc1[nH+]ccc2cc([C@H](C)[NH3+])ccc12	258047732	573499501	/nfs/dbraw/zinc/49/95/01/573499501.db2.gz	KIUWNAPWZXKDRJ-QMMMGPOBSA-N	2	2	186.258	2.563	10	0		AFAELP
Cc1[nH+]ccc2ccc([C@H](C)[NH3+])cc12	258178971	573904009	/nfs/dbraw/zinc/90/40/09/573904009.db2.gz	WIOUKJVVFOUEAF-QMMMGPOBSA-N	2	2	186.258	2.563	10	0		AFAELP
C1CC[NH+]=C([C@H]2CCCCC[NH2+]2)CC1	238016034	573706993	/nfs/dbraw/zinc/70/69/93/573706993.db2.gz	TXWYIQLSSCVMGZ-LLVKDONJSA-N	2	2	194.322	2.534	10	0		AFAELP
CC(C)C[C@@H](C)c1[nH]c([C@@H](C)[NH3+])c[nH+]1	393668291	573714798	/nfs/dbraw/zinc/71/47/98/573714798.db2.gz	AJDRLNQVEYPVAX-RKDXNWHRSA-N	2	2	195.310	2.579	10	0		AFAELP
CC(C)C[C@@H](C)c1[nH]c([C@H](C)[NH3+])c[nH+]1	393668283	573715266	/nfs/dbraw/zinc/71/52/66/573715266.db2.gz	AJDRLNQVEYPVAX-BDAKNGLRSA-N	2	2	195.310	2.579	10	0		AFAELP
C#[N+]c1cc2nc(C)[nH]c2cc1[N+]#C	238498812	573756067	/nfs/dbraw/zinc/75/60/67/573756067.db2.gz	WNKZPTZKQMXASG-UHFFFAOYSA-N	2	2	182.186	2.973	10	0		AFAELP